(5-methyl-2-propan-2-yl-cyclohexyl) 2-(1-phenethylbenzimidazol-2-yl)sulfanylethanoate

Systemtic Name: (5-methyl-2-propan-2-yl-cyclohexyl) 2-(1-phenethylbenzimidazol-2-yl)sulfanylethanoate Openeye Name: (2-isopropyl-5-methyl-cyclohexyl) 2-(1-phenethylbenzimidazol-2-yl)sulfanylacetate CAS Name: 2-[(1-phenethyl-2-benzimidazolyl)thio]acetic acid (5-methyl-2-propan-2-ylcyclohexyl) ester IUPAC Name: (5-methyl-2-propan-2-ylcyclohexyl) 2-(1-phenethylbenzimidazol-2-yl)sulfanylacetate Traditional Name: 2-[(1-phenethylbenzimidazol-2-yl)thio]acetic acid (2-isopropyl-5-methyl-cyclohexyl) ester Formula: C27H34N2O2S MolecularWeight: 450.63606

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)CSC2=NC3=CC=CC=C3N2CCC4=CC=CC=C4)C(C)C

Isomeric SMILES

CC1CCC(C(C1)OC(=O)CSC2=NC3=CC=CC=C3N2CCC4=CC=CC=C4)C(C)C

InChI

InChI=1S/C27H34N2O2S/c1-19(2)22-14-13-20(3)17-25(22)31-26(30)18-32-27-28-23-11-7-8-12-24(23)29(27)16-15-21-9-5-4-6-10-21/h4-12,19-20,22,25H,13-18H2,1-3H3